4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol

C15H17NO3 — CID 43672155

IUPAC4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
SMILESCOCc1cccc(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C15H17NO3/c1-19-10-11-3-2-4-13(7-11)16-9-12-5-6-14(17)8-15(12)18/h2-8,16-18H,9-10H2,1H3
InChIKeyIXEGJQUGHVLCEK-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.86
Rot. Bonds5

About 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol

4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol (PubChem CID 43672155) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
PubChem CID43672155
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol
SMILESCOCc1cccc(NCc2ccc(O)cc2O)c1
InChIInChI=1S/C15H17NO3/c1-19-10-11-3-2-4-13(7-11)16-9-12-5-6-14(17)8-15(12)18/h2-8,16-18H,9-10H2,1H3
InChIKeyIXEGJQUGHVLCEK-UHFFFAOYSA-N
XLogP2.86
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3-(methoxymethyl)aniline
CID 43672166
4-amino-2-[[3-(methoxymethyl)anilino]methyl]phenol
CID 70009939
N-[(4-chloro-2-methylphenyl)methyl]-3-(methoxymethyl)aniline
CID 104854025
2-[[3-[(dimethylamino)methyl]anilino]methyl]-5-methoxyphenol
CID 61261950
N-[(5-bromo-2-fluorophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672063
3-(methoxymethyl)-N-(naphthalen-2-ylmethyl)aniline
CID 43672062
N-[3-[(2,4-dihydroxyphenyl)methylamino]phenyl]propanamide
CID 28661961
3-(methoxymethyl)-N-[(2-methoxy-5-methylphenyl)methyl]aniline
CID 43672260
3-(methoxymethyl)-N-[(1-methylindol-3-yl)methyl]aniline
CID 107234938
2-fluoro-3-[[3-(methoxymethyl)anilino]methyl]benzonitrile
CID 107114498
N-(isoquinolin-4-ylmethyl)-3-(methoxymethyl)aniline
CID 115748316
N-[(3-bromophenyl)methyl]-3-(methoxymethyl)aniline
CID 43672072

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol (CID 43672155) is 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol is COCc1cccc(NCc2ccc(O)cc2O)c1.
What is the InChIKey of 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol?
The InChIKey is IXEGJQUGHVLCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c1-19-10-11-3-2-4-13(7-11)16-9-12-5-6-14(17)8-15(12)18/h2-8,16-18H,9-10H2,1H3.
What are the key properties of 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol?
4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol has a molecular weight of 259.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(methoxymethyl)anilino]methyl]benzene-1,3-diol is sourced from PubChem (CID 43672155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).